Bastadin 16

ID: ALA2333164

Chembl Id: CHEMBL2333164

Max Phase: Preclinical

Molecular Formula: C34H27Br5N4O8

Molecular Weight: 1019.13

Molecule Type: Unknown

Names and Identifiers

Synonyms: Bastadin 16

Canonical SMILES:  O=C1NCCc2ccc(O)c(c2)Oc2c(Br)cc(cc2Br)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N\O

Standard InChI:  InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25+,43-26+

Standard InChI Key:  AJMQODPAUXMBSS-DCRHPOARSA-N

Alternative Forms

1. Parent:

   

   ALA2333164

   BASTADIN 16

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1019.13

Molecular Weight (Monoisotopic): 1013.7746

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References

1. Niemann H, Lin W, Müller WE, Kubbutat M, Lai D, Proksch P..  (2013)  Trimeric hemibastadin congener from the marine sponge Ianthella basta.,  76  (1): [PMID:23249297] [10.1021/np300764u]

2. Eguchi K, Kato H, Fujiwara Y, Losung F, Mangindaan RE, de Voogd NJ, Takeya M, Tsukamoto S..  (2015)  Bastadins, brominated-tyrosine derivatives, suppress accumulation of cholesterol ester in macrophages.,  25  (22): [PMID:26403929] [10.1016/j.bmcl.2015.09.024]

Source

Source(1):

• Scientific Literature